Chemical Abstract Service (CAS) numbers are universal identifiers for chemical substances, crucial for unambiguous communication within the scientific and industrial communities. For professionals working with specialized compounds, understanding the detailed specifications associated with a CAS number is vital. This article provides an in-depth look at CAS: 361442-00-4, identifying it as Boc-3-Hydroxy-1-adamantyl-D-glycine, and exploring its key chemical properties and significance.

Boc-3-Hydroxy-1-adamantyl-D-glycine, identified by CAS number 361442-00-4, is a complex organic molecule that plays a critical role, particularly in the pharmaceutical industry. Its chemical structure comprises several key features: an adamantane cage, which provides rigidity and lipophilicity; a tert-butoxycarbonyl (Boc) protecting group, commonly used in peptide and amino acid synthesis; and a hydroxyl group. The molecular formula is C17H27NO5, with a molecular weight of approximately 325.40 g/mol. These precise parameters are essential for chemists when designing synthetic routes or calculating stoichiometry.

When one decides to buy this compound, understanding its physical and chemical properties is essential for successful application. Key specifications often include:

  • Purity: Typically specified as 97% or higher, indicating the percentage of the target compound in the sample. High purity is critical for pharmaceutical applications to ensure predictable reactions and minimize impurities in the final product.
  • Appearance: Often described as a white solid, providing a visual confirmation of the material.
  • Melting Point: Frequently reported as greater than 230°C (with decomposition), suggesting thermal stability up to a certain point.
  • Boiling Point: Predicted boiling points, such as 497.3°C at 760 mmHg, provide additional thermodynamic data.
  • Solubility: Information on solubility in common solvents like DMSO, methanol, or chloroform is crucial for reaction planning and purification steps.
  • Acidity Factor (pKa): A predicted pKa of 3.93±0.10 provides insight into its acidic properties.

The primary significance of Boc-3-Hydroxy-1-adamantyl-D-glycine lies in its role as a key intermediate in the synthesis of Saxagliptin, a drug used to treat type 2 diabetes. The specific stereochemistry and functional groups of this intermediate are designed to facilitate the stereoselective formation of the API. Manufacturers like NINGBO INNO PHARMCHEM CO.,LTD. specialize in producing this compound to meet the stringent demands of the pharmaceutical sector.

For researchers and procurement specialists, referring to the CAS number 361442-00-4 ensures they are discussing and sourcing the exact same chemical entity. This detailed understanding of chemical specifications allows for more informed decisions, more efficient research, and more reliable manufacturing processes. When you require this compound, knowing these specifications helps in evaluating potential suppliers and ensuring product suitability.